tert-butyl 4-[(3R,4S)-4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R,4S)-4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(3R,4S)-4-hydroxy-1,1-dioxo-thiolan-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3R,4S)-4-hydroxy-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3R,4S)-4-hydroxy-1,1-diketo-thiolan-3-yl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H25N2O5S+ MolecularWeight: 321.413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C2CS(=O)(=O)CC2O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@H]2CS(=O)(=O)C[C@H]2O

InChI

InChI=1S/C13H24N2O5S/c1-13(2,3)20-12(17)15-6-4-14(5-7-15)10-8-21(18,19)9-11(10)16/h10-11,16H,4-9H2,1-3H3/p+1/t10-,11+/m0/s1